1JJ

[(1S)-1-hydroxypropyl]phosphonic acid

Created:	2013-02-15
Last modified:	2013-04-03

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2 entries where 1JJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	1
Bond Count	16
Aromatic Bond Count	0

2D diagram of 1JJ

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Chemical Component Summary
Name	[(1S)-1-hydroxypropyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)	[(1S)-1-oxidanylpropyl]phosphonic acid
Formula	C₃ H₉ O₄ P
Molecular Weight	140.075
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)C(O)CC
SMILES	CACTVS	3.370	CC[CH](O)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CCC(O)P(=O)(O)O
Canonical SMILES	CACTVS	3.370	CC[C@@H](O)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC[C@@H](O)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKey	InChI	1.03	MVIJUJBSAAUHEM-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	71297190

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